<html><head><style type="text/css"><!-- DIV {margin:0px;} --></style></head><body><div style="font-family:times new roman, new york, times, serif;font-size:14pt">Dear all wien2k users<br> I have installed the last version of wien code, and w2web, I make the following stages to calculate the structural properties:
(StructGenTM, initialize calculation and SCF sycl), my problem is in
optimization, the program is stopped always in the energy second
value.<br>thank you for your assistance<div> samia</div><div><div><div><div><div><div><div>********************************************************** <br><br><font style="color: rgb(0, 0, 0); font-weight: bold;" size="3"><em><strong> DRABLIA SAMIA </strong> </em></font></div> <div style="font-weight: bold;"><font size="3"><strong><em>Laboratoire Structure des Iinterfaces </em></strong></font></div> <div style="font-weight: bold;"><font size="3"><strong><em>et Fonctionnalité des Couches Minces<br>ENSICAEN-Caen- France.</em></strong></font></div> <div><font style="font-weight: bold;" size="3"><strong>Tel: + 33 231 45 26 65 Fax: + 33 231 45 26 60<br>E-mail:</strong> <a style="text-decoration: underline;" rel="nofollow" target="_blank" href="mailto:s_drablia@yahoo.fr"><font color="#bf00bf"><strong>s_drablia@yahoo.fr</strong></font></a></font><font style="font-weight: bold;" color="#bf00bf"><font size="3"><span style="text-decoration:
underline;"> </span><br> samia.drablia@ensicaen.fr<br></font></font><br>**********************************************************</div></div></div></div></div></div></div><div style="font-family: times new roman,new york,times,serif; font-size: 14pt;"><br><br><div style="font-family: times new roman,new york,times,serif; font-size: 12pt;">----- Message d'origine ----<br>De : Michael Gurnett <michael.gurnett@kau.se><br>À : A Mailing list for WIEN2k users <wien@zeus.theochem.tuwien.ac.at><br>Envoyé le : Lundi, 3 Décembre 2007, 12h47mn 31s<br>Objet : [Wien] intel based mac lapw1 problem<br><br>
I've installed the latest Wien code on an intel based mac (2 dual core
processors). I've used the mkl 10.0.011 with fce 10.0.023 on a fedora 8
system. It compiles fine, but when I run an scf I get<br><br> <br><pre>MLK func load error: cpu specific dll isn`t loaded<br><div> </div><div>
never seen this problem before</div><div> </div><div>note: it does say <br>MLK not mkl </div><div> </div><div>hope someone recognises this <br>and can point me in the right direction</div><div> </div><div>
Michael </div></pre>
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